SCHEMBL9688759

SCHEMBL9688759

CCCSC(SCCC)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.51
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9689743 0.80 CYSLTR1 (0.64) ALOX5CYSLTR2CYSLTR1
SCHEMBL9688764 0.79 CYSLTR2 (0.44) ALOX5CYSLTR2CYSLTR1
SCHEMBL9688226 0.78 CYSLTR1 (0.45) ALOX5CYSLTR2CYSLTR1
SCHEMBL9689538 0.78 CYSLTR2 (0.49) ALOX5CYSLTR2CYSLTR1TLR4TLR2
Hydrochloric Acid SCHEMBL9688773 0.77 CYSLTR1 (0.44) ALOX5CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688361 0.77 CYSLTR2 (0.48) ALOX5CYSLTR2CYSLTR1TLR4TLR2
SCHEMBL10656521 0.77 ALOX5 (0.69) ALOX5CYSLTR2CYSLTR1
SCHEMBL10434840 0.75 ALOX5 (0.56) ALOX5
Dimethylamine SCHEMBL9687700 0.75 CYSLTR2 (0.51) CYSLTR2CYSLTR1
SCHEMBL9689101 0.75 CYSLTR1 (0.42) ALOX5CYSLTR2CYSLTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291916-B1 DITHIOACETAL COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP disclosed
US-5081126-A QUINOLYL- AND ISOQUINOLYL-METHOXYPHENYL-DITHIOACETYL DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
US-4963576-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; 5-LIPOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
EP-0291916-A1 Dithioacetal compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-23 EP disclosed